3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol

C12H13BrN2O2 — CID 82560779

IUPAC3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12-14-5-6-15(12)7-11(17)8-16/h1-6,11,16-17H,7-8H2
InChIKeyNXYSRSSHNRDZBW-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.67
Rot. Bonds4

About 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol

3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol (PubChem CID 82560779) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol
PubChem CID82560779
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1ccnc1-c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12-14-5-6-15(12)7-11(17)8-16/h1-6,11,16-17H,7-8H2
InChIKeyNXYSRSSHNRDZBW-UHFFFAOYSA-N
XLogP1.67
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560593
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
(2R)-1-(azepan-1-yl)-3-[2-(4-chlorophenyl)imidazol-1-yl]propan-2-ol
CID 96574228
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
CID 65277378
(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 95552944
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
(2R)-1-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]propan-2-ol
CID 155918021
1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide
CID 23619072
1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
CID 86792569
3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
CID 114561672

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol (CID 82560779) is 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol is OCC(O)Cn1ccnc1-c1ccc(Br)cc1.
What is the InChIKey of 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol?
The InChIKey is NXYSRSSHNRDZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-10-3-1-9(2-4-10)12-14-5-6-15(12)7-11(17)8-16/h1-6,11,16-17H,7-8H2.
What are the key properties of 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol?
3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol has a molecular weight of 297.15 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 82560779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).